5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2453 |
| Compound Name: | 5-[2-(4-ethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C1CC(C2=C(NC(N(C)C2=O)=O)O)=Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1725 |
| logD: | -3.0319 |
| logSw: | -3.4491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.432 |
| InChI Key: | JWWDYKFSEHPDFJ-SFHVURJKSA-N |